Geometry & MOs

Info

ID:	167064
PubChem CID:	74775364
Reduced:	ClO3N5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	324.099774
ΔH_f, kcal/mol:	12.35
Dipole, Da:	8.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.075250
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]-3H-inden-1-one

Drug info:

PubChemData

Smile

C[NH+]1C=C2C(=NN(C2=O)C3=CC=CC=C3)C(=C1)C(=O)N4CCN(CC4)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations